CID 22633785

1h,2h,3h,4h-benzo[h]isoquinoline hydrochloride

Structural Information

Molecular Formula
C13H13N
SMILES
C1CNCC2=C1C=CC3=CC=CC=C23
InChI
InChI=1S/C13H13N/c1-2-4-12-10(3-1)5-6-11-7-8-14-9-13(11)12/h1-6,14H,7-9H2
InChIKey
BNWUYMPBSBQTEX-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydrobenzo[h]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

183.1048 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11208 139.5
[M+Na]+ 206.09402 154.6
[M+NH4]+ 201.13862 150.6
[M+K]+ 222.06796 145.5
[M-H]- 182.09752 143.6
[M+Na-2H]- 204.07947 147.3
[M]+ 183.10425 143.0
[M]- 183.10535 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe